1-(3,5-dimethylimidazol-4-yl)-N-(2-methoxyphenyl)-1-phenylmethanimine

C19H19N3O — CID 90462536

IUPAC1-(3,5-dimethylimidazol-4-yl)-N-(2-methoxyphenyl)-1-phenylmethanimine
SMILESCOc1ccccc1/N=C(\c1ccccc1)c1c(C)ncn1C
InChIInChI=1S/C19H19N3O/c1-14-19(22(2)13-20-14)18(15-9-5-4-6-10-15)21-16-11-7-8-12-17(16)23-3/h4-13H,1-3H3/b21-18+
InChIKeySKUPDFFACGDMET-DYTRJAOYSA-N
MW305.38 g/mol
LogP3.91
Rot. Bonds4

About 1-(3,5-dimethylimidazol-4-yl)-N-(2-methoxyphenyl)-1-phenylmethanimine

1-(3,5-dimethylimidazol-4-yl)-N-(2-methoxyphenyl)-1-phenylmethanimine (PubChem CID 90462536) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-(3,5-dimethylimidazol-4-yl)-N-(2-methoxyphenyl)-1-phenylmethanimine.

Molecular Properties

Compound Name1-(3,5-dimethylimidazol-4-yl)-N-(2-methoxyphenyl)-1-phenylmethanimine
PubChem CID90462536
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name1-(3,5-dimethylimidazol-4-yl)-N-(2-methoxyphenyl)-1-phenylmethanimine
SMILESCOc1ccccc1/N=C(\c1ccccc1)c1c(C)ncn1C
InChIInChI=1S/C19H19N3O/c1-14-19(22(2)13-20-14)18(15-9-5-4-6-10-15)21-16-11-7-8-12-17(16)23-3/h4-13H,1-3H3/b21-18+
InChIKeySKUPDFFACGDMET-DYTRJAOYSA-N
XLogP3.91
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylimidazol-4-yl)-N-(2-methoxyphenyl)-1-phenylmethanimine?
The IUPAC name of 1-(3,5-dimethylimidazol-4-yl)-N-(2-methoxyphenyl)-1-phenylmethanimine (CID 90462536) is 1-(3,5-dimethylimidazol-4-yl)-N-(2-methoxyphenyl)-1-phenylmethanimine.
What is the SMILES notation for 1-(3,5-dimethylimidazol-4-yl)-N-(2-methoxyphenyl)-1-phenylmethanimine?
The canonical SMILES for 1-(3,5-dimethylimidazol-4-yl)-N-(2-methoxyphenyl)-1-phenylmethanimine is COc1ccccc1/N=C(\c1ccccc1)c1c(C)ncn1C.
What is the InChIKey of 1-(3,5-dimethylimidazol-4-yl)-N-(2-methoxyphenyl)-1-phenylmethanimine?
The InChIKey is SKUPDFFACGDMET-DYTRJAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-14-19(22(2)13-20-14)18(15-9-5-4-6-10-15)21-16-11-7-8-12-17(16)23-3/h4-13H,1-3H3/b21-18+.
What are the key properties of 1-(3,5-dimethylimidazol-4-yl)-N-(2-methoxyphenyl)-1-phenylmethanimine?
1-(3,5-dimethylimidazol-4-yl)-N-(2-methoxyphenyl)-1-phenylmethanimine has a molecular weight of 305.38 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylimidazol-4-yl)-N-(2-methoxyphenyl)-1-phenylmethanimine is sourced from PubChem (CID 90462536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).